Table 5.

Predictive results from all runs of the between laboratory validation study

No.	Test substance	Lab 1									Result	Lab 2						Result
		1 QT										1 QT
		1st run			2nd run			3rd run				1st run			2nd run
		CDR	LDR	Pre	CDR	LDR	Pre	CDR	LDR	Pre		CDR	LDR	Pre	CDR	LDR	Pre
1	p-Benzoquinone	100	94.2	P	100	86.2	P				S	100	96	P	96.3	95.9	P	S
2	Lauryl gallate			–			–			–	–	11.2	94.8	P	14.2	94.1	P	S
3	Chloramine T trihydrate	95.4	97.6	P	97.2	97.3	P				S	96.2	94	P	97.9	94.3	P	S
4	4-(Methylamino)phenol sulfate	97.4	91.1	P	97	86.5	P				S	99.5	99.1	P	100	99.9	P	S
5	2-Mercaptobenzothiazole	36.4	5	P	33.5	13.5	P				S	34.3	0	P	32.8	11.9	P	S
6	Dihydroeugenol	1.8	3.1	N	0.3	4.6	N				NS	6.1	1.1	N	5.8	5.9	N	NS
7	Palmitoyl chloride	14.6	6.6	P	5.3	11.1	N	2.8	3.1	N	NS	25.6	39.4	P	20.8	42	P	S
8	Benzyl salicylate	4.3	3	N	4.5	3.7	N				NS	0	0	N	1.3	8.4	N	NS
9	Cinnamaldehyde	61.7	13.9	P	62.2	23.8	P				S	52.4	6.8	P	50.5	4.1	P	S
10	Farnesal	87.3	14	P	25.8	6.6	P				S	100	11.7	P	94.7	6.4	P	S
11	Imidazolidinyl urea	0	51.6	P	0	55.6	P				S	4.4	37.7	P	0	36.6	P	S
12	Ethyl acrylate	99.6	13.3	P	99.8	19.1	P				S	27	1.6	P	21.5	0	P	S
13	Benzyl cinnamate	2	2.5	N	1.5	6.3	N				NS	6.5	0	N	3.4	3.9	N	NS
14	Salicylic acid	3.4	3.8	N	1.4	10.3	N				NS	6.3	0	N	6.4	5.1	N	NS
15	Benzyl alcohol	3.1	4	N	0.1	2.5	N				NS	0	0	N	0	8.9	N	NS
16	Glycerol	0.3	0.9	N	0.5	0.2	N				NS	2.2	0	N	3.5	4.2	N	NS
17	Isopropanol	3.2	2.1	N	4.3	0	N				NS	5	0	N	3.4	6.9	N	NS
18	Dimethyl isophthalate	4.3	8	N	1.6	0	N				NS	4.2	12.8	N	0	8.7	N	NS
19	Methyl salicylate	7	2.3	N	5.8	5.5	N				NS	4.1	1	N	1.9	13.6	N	NS
20	4-Aminobenzoic acid	3	96.2	P	2	86	P				S	4.1	87.6	P	0	36.3	P	S

No.	Test substance	Lab 3									Result	LLNA result
		1 QT
		1 run			2 run			3 run
		CDR	LDR	Pre	CDR	LDR	Pre	CDR	LDR	Pre
1	p-Benzoquinone	100	90.4	P	99.9	73.1	P				S	S
2	Lauryl gallate	86.3	90.3	P	11.1	86.3	P				S	S
3	Chloramine T trihydrate	98.6	97.3	P	99.7	96.3	P				S	S
4	4-(Methylamino)phenol sulfate	98.8	99.6	P	94.1	100	P				S	S
5	2-Mercaptobenzothiazole	29.2	0	P	44.6	0	P				S	S
6	Dihydroeugenol	1.1	0	N	0.3	0	N				NS	S
7	Palmitoyl chloride	7.4	0	N	12.5	0	P	1.2	0	N	NS	S
8	Benzyl salicylate	1.7	0	N	0	0	N				NS	S
9	Cinnamaldehyde	48.7	0	P	51.1	0	P				S	S
10	Farnesal	97.4	0	P	88.2	0	P				S	S
11	Imidazolidinyl urea	0	38.3	P	0	1.3	N	0	40.2	p	S	S
12	Ethyl acrylate	20.2	0	P	39.8	0	P				S	S
13	Benzyl cinnamate	0	0	N	0	0	N				NS	S
14	Salicylic acid	0.1	0	N	0.3	0	N				NS	NS
15	Benzyl alcohol	2.8	0	N	1.2	0	N				NS	NS
16	Glycerol	1.3	0	N	35.3	0	P	18.1	0	p	S	NS
17	Isopropanol	0.1	0	N	0	0	N				NS	NS
18	Dimethyl isophthalate	0	0	N	0.1	0	N				NS	NS
19	Methyl salicylate	0.1	1.8	N	3.3	0	N				NS	NS
20	4-Aminobenzoic acid	0.7	100	P	1.6	90.7	P				S	NS

	All run-based results of Lab 1	All run-based results of Lab 2	All run-based results of Lab 3	All run-based results of 3 laboratories
Accuracy (%)	74.4	80.0	69.8	74.6
Sensitivity (%)	68.0	76.9	67.9	70.9
Specificity (%)	85.7	85.7	73.3	81.4

QT qualified test, CDR cysteine depletion rate, LDR lysine depletion rate, Pre prediction, P positive, N negative, S sensitizer, NS non-sensitizer